3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride

C17H28ClN3 — CID 120849136

IUPAC3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
SMILESCl.c1cncc(CC2CCN(CC3CCNCC3)CC2)c1
InChIInChI=1S/C17H27N3.ClH/c1-2-17(13-19-7-1)12-15-5-10-20(11-6-15)14-16-3-8-18-9-4-16;/h1-2,7,13,15-16,18H,3-6,8-12,14H2;1H
InChIKeyMUIGMSOPJIYOCC-UHFFFAOYSA-N
MW309.88 g/mol
LogP2.76
Rot. Bonds4

About 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride

3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride (PubChem CID 120849136) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
PubChem CID120849136
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
SMILESCl.c1cncc(CC2CCN(CC3CCNCC3)CC2)c1
InChIInChI=1S/C17H27N3.ClH/c1-2-17(13-19-7-1)12-15-5-10-20(11-6-15)14-16-3-8-18-9-4-16;/h1-2,7,13,15-16,18H,3-6,8-12,14H2;1H
InChIKeyMUIGMSOPJIYOCC-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
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CID 175648027
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
CID 44784866
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 54174979
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride?
The IUPAC name of 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride (CID 120849136) is 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride?
The canonical SMILES for 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride is Cl.c1cncc(CC2CCN(CC3CCNCC3)CC2)c1.
What is the InChIKey of 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride?
The InChIKey is MUIGMSOPJIYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.ClH/c1-2-17(13-19-7-1)12-15-5-10-20(11-6-15)14-16-3-8-18-9-4-16;/h1-2,7,13,15-16,18H,3-6,8-12,14H2;1H.
What are the key properties of 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride?
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride is sourced from PubChem (CID 120849136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).