N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride

C14H23Cl2N3 — CID 154885927

IUPACN-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
SMILESC=CCN(Cc1ccccn1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3.2ClH/c1-2-10-17(14-7-5-8-15-11-14)12-13-6-3-4-9-16-13;;/h2-4,6,9,14-15H,1,5,7-8,10-12H2;2*1H
InChIKeyUPQYOUHKHUCPJJ-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.67
Rot. Bonds5

About N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride

N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride (PubChem CID 154885927) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.26 g/mol. Its IUPAC name is N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
PubChem CID154885927
Molecular FormulaC14H23Cl2N3
Molecular Weight304.26 g/mol
Exact Mass303.13
IUPAC NameN-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
SMILESC=CCN(Cc1ccccn1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3.2ClH/c1-2-10-17(14-7-5-8-15-11-14)12-13-6-3-4-9-16-13;;/h2-4,6,9,14-15H,1,5,7-8,10-12H2;2*1H
InChIKeyUPQYOUHKHUCPJJ-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 129004801
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride?
The IUPAC name of N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride (CID 154885927) is N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride?
The canonical SMILES for N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride is C=CCN(Cc1ccccn1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride?
The InChIKey is UPQYOUHKHUCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.2ClH/c1-2-10-17(14-7-5-8-15-11-14)12-13-6-3-4-9-16-13;;/h2-4,6,9,14-15H,1,5,7-8,10-12H2;2*1H.
What are the key properties of N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride?
N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride has a molecular weight of 304.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 154885927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).