tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane

C24H44N4O2 — CID 166113013

IUPACtert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H32N4O2.2C2H6/c1-20(2,3)26-19(25)24-10-7-17(8-11-24)16-22-12-14-23(15-13-22)18-6-4-5-9-21-18;2*1-2/h4-6,9,17H,7-8,10-16H2,1-3H3;2*1-2H3
InChIKeyIGEKYTWQSKCOQP-UHFFFAOYSA-N
MW420.64 g/mol
LogP4.90
Rot. Bonds3

About tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane

tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane (PubChem CID 166113013) has the molecular formula C24H44N4O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
PubChem CID166113013
Molecular FormulaC24H44N4O2
Molecular Weight420.64 g/mol
Exact Mass420.35
IUPAC Nametert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H32N4O2.2C2H6/c1-20(2,3)26-19(25)24-10-7-17(8-11-24)16-22-12-14-23(15-13-22)18-6-4-5-9-21-18;2*1-2/h4-6,9,17H,7-8,10-16H2,1-3H3;2*1-2H3
InChIKeyIGEKYTWQSKCOQP-UHFFFAOYSA-N
XLogP4.90
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 4-[[4-(5-iodo-2-pyridinyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363385
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
tert-butyl 4-[[4-[3-(1,3-dioxoisoindol-2-yl)propyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171070828
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 46206314
methanol;methyl 6-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridazine-3-carboxylate;6-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid;molecular iodine;triiodide
CID 161088539
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
tert-butyl 4-[[4-(3-cyanophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 15947412
tert-butyl 4-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 11632794
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane (CID 166113013) is tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane is CC.CC.CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane?
The InChIKey is IGEKYTWQSKCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.2C2H6/c1-20(2,3)26-19(25)24-10-7-17(8-11-24)16-22-12-14-23(15-13-22)18-6-4-5-9-21-18;2*1-2/h4-6,9,17H,7-8,10-16H2,1-3H3;2*1-2H3.
What are the key properties of tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane?
tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane has a molecular weight of 420.64 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 166113013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).