N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride

C14H25Cl2N3 — CID 119914710

IUPACN-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCNCC1CCCN(CCc2cccnc2)C1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-15-10-14-5-3-8-17(12-14)9-6-13-4-2-7-16-11-13;;/h2,4,7,11,14-15H,3,5-6,8-10,12H2,1H3;2*1H
InChIKeyXCSPVEAYPXDIBZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride

N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride (PubChem CID 119914710) has the molecular formula C14H25Cl2N3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
PubChem CID119914710
Molecular FormulaC14H25Cl2N3
Molecular Weight306.28 g/mol
Exact Mass305.14
IUPAC NameN-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCNCC1CCCN(CCc2cccnc2)C1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-15-10-14-5-3-8-17(12-14)9-6-13-4-2-7-16-11-13;;/h2,4,7,11,14-15H,3,5-6,8-10,12H2,1H3;2*1H
InChIKeyXCSPVEAYPXDIBZ-UHFFFAOYSA-N
XLogP2.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 115647965
N-[[1-(2-pyridin-4-ylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 55174076
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride (CID 119914710) is N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride is CNCC1CCCN(CCc2cccnc2)C1.Cl.Cl.
What is the InChIKey of N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride?
The InChIKey is XCSPVEAYPXDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.2ClH/c1-15-10-14-5-3-8-17(12-14)9-6-13-4-2-7-16-11-13;;/h2,4,7,11,14-15H,3,5-6,8-10,12H2,1H3;2*1H.
What are the key properties of N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride?
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride has a molecular weight of 306.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).