1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

C17H35N3 — CID 139475378

IUPAC1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)14-16-6-8-20(9-7-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyJJNZMYUDJKNDMO-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds3

About 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 139475378) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID139475378
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)14-16-6-8-20(9-7-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyJJNZMYUDJKNDMO-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 170018752
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
CID 146520434
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 167617800
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (CID 139475378) is 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is JJNZMYUDJKNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)14-16-6-8-20(9-7-16)17(3,4)5/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 139475378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).