2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine

C44H72N8 — CID 159626026

IUPAC2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCNCC2)cn1.CC(C)N1CCC(c2ccc(C(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C17H28N2.C14H23N3.C13H21N3/c1-13(2)19-10-8-14(9-11-19)15-6-7-16(18-12-15)17(3,4)5;1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-13(2,3)12-5-4-11(10-15-12)16-8-6-14-7-9-16/h6-7,12-14H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;4-5,10,14H,6-9H2,1-3H3
InChIKeyMOMQOQQGOGNTON-UHFFFAOYSA-N
MW713.12 g/mol
LogP7.89
Rot. Bonds4

About 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine

2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine (PubChem CID 159626026) has the molecular formula C44H72N8 and a molecular weight of 713.12 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine
PubChem CID159626026
Molecular FormulaC44H72N8
Molecular Weight713.12 g/mol
Exact Mass712.59
IUPAC Name2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine
SMILESCC(C)(C)c1ccc(N2CCNCC2)cn1.CC(C)N1CCC(c2ccc(C(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C17H28N2.C14H23N3.C13H21N3/c1-13(2)19-10-8-14(9-11-19)15-6-7-16(18-12-15)17(3,4)5;1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-13(2,3)12-5-4-11(10-15-12)16-8-6-14-7-9-16/h6-7,12-14H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;4-5,10,14H,6-9H2,1-3H3
InChIKeyMOMQOQQGOGNTON-UHFFFAOYSA-N
XLogP7.89
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.12
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
bis(N-tert-butyl-4-piperazin-1-ylaniline);N-tert-butyl-5-piperazin-1-ylpyridin-2-amine;tetrakis(N-tert-butyl-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine)
CID 160767753
4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
5-(azetidin-3-yl)-2-tert-butylpyridine
CID 162745774
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
CID 171604045
3-tert-butyl-6-piperazin-1-ylisoquinoline
CID 155245181
(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
CID 135253699
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
2-[4-[6-[2,5-dimethyl-5-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hexan-2-yl]-3-pyridinyl]piperazin-1-yl]ethanol
CID 134601086
N-[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]acetamide
CID 176691997
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine?
The IUPAC name of 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine (CID 159626026) is 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine is CC(C)(C)c1ccc(N2CCNCC2)cn1.CC(C)N1CCC(c2ccc(C(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine?
The InChIKey is MOMQOQQGOGNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C14H23N3.C13H21N3/c1-13(2)19-10-8-14(9-11-19)15-6-7-16(18-12-15)17(3,4)5;1-14(2,3)13-6-5-12(11-15-13)17-9-7-16(4)8-10-17;1-13(2,3)12-5-4-11(10-15-12)16-8-6-14-7-9-16/h6-7,12-14H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;4-5,10,14H,6-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine?
2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine has a molecular weight of 713.12 g/mol, XLogP of 7.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-propan-2-ylpiperidin-4-yl)pyridine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)piperazine is sourced from PubChem (CID 159626026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).