1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine

C20H33N5 — CID 177134591

IUPAC1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESc1ncc(N2CCC(CN3CCNCC3)CC2)cc1N1CCCCC1
InChIInChI=1S/C20H33N5/c1-2-8-24(9-3-1)19-14-20(16-22-15-19)25-10-4-18(5-11-25)17-23-12-6-21-7-13-23/h14-16,18,21H,1-13,17H2
InChIKeyNABRMBKHGBIZJI-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.19
Rot. Bonds4

About 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine

1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine (PubChem CID 177134591) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
PubChem CID177134591
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESc1ncc(N2CCC(CN3CCNCC3)CC2)cc1N1CCCCC1
InChIInChI=1S/C20H33N5/c1-2-8-24(9-3-1)19-14-20(16-22-15-19)25-10-4-18(5-11-25)17-23-12-6-21-7-13-23/h14-16,18,21H,1-13,17H2
InChIKeyNABRMBKHGBIZJI-UHFFFAOYSA-N
XLogP2.19
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
CID 171070054
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393138
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 62996393
5-(1,4-diazepan-1-yl)pyridin-3-ol
CID 10559695
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
ethane;2-(hydroxymethyl)-4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 177052019
ethane;1-[[1-(3-propan-2-ylsulfonylphenyl)piperidin-4-yl]methyl]piperazine
CID 170639106
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
5-piperidin-1-ylpyridin-3-ol
CID 66521117

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine (CID 177134591) is 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine is c1ncc(N2CCC(CN3CCNCC3)CC2)cc1N1CCCCC1.
What is the InChIKey of 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is NABRMBKHGBIZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-2-8-24(9-3-1)19-14-20(16-22-15-19)25-10-4-18(5-11-25)17-23-12-6-21-7-13-23/h14-16,18,21H,1-13,17H2.
What are the key properties of 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine?
1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 343.52 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 177134591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).