N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride

C11H20Cl3N3 — CID 75994063

IUPACN-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(CNC2CCCNC2)nc1
InChIInChI=1S/C11H17N3.3ClH/c1-2-7-13-11(4-1)9-14-10-5-3-6-12-8-10;;;/h1-2,4,7,10,12,14H,3,5-6,8-9H2;3*1H
InChIKeyVDRJBPACIMTLEE-UHFFFAOYSA-N
MW300.66 g/mol
LogP2.19
Rot. Bonds3

About N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride

N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride (PubChem CID 75994063) has the molecular formula C11H20Cl3N3 and a molecular weight of 300.66 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
PubChem CID75994063
Molecular FormulaC11H20Cl3N3
Molecular Weight300.66 g/mol
Exact Mass299.07
IUPAC NameN-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(CNC2CCCNC2)nc1
InChIInChI=1S/C11H17N3.3ClH/c1-2-7-13-11(4-1)9-14-10-5-3-6-12-8-10;;;/h1-2,4,7,10,12,14H,3,5-6,8-9H2;3*1H
InChIKeyVDRJBPACIMTLEE-UHFFFAOYSA-N
XLogP2.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
CID 71640488
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
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(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
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CID 17052919
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
N-piperidin-3-ylpyridin-2-amine
CID 63321128

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride?
The IUPAC name of N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride (CID 75994063) is N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride.
What is the SMILES notation for N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride?
The canonical SMILES for N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride is Cl.Cl.Cl.c1ccc(CNC2CCCNC2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride?
The InChIKey is VDRJBPACIMTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.3ClH/c1-2-7-13-11(4-1)9-14-10-5-3-6-12-8-10;;;/h1-2,4,7,10,12,14H,3,5-6,8-9H2;3*1H.
What are the key properties of N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride?
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride has a molecular weight of 300.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride is sourced from PubChem (CID 75994063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).