1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride

C13H22Cl3N3 — CID 119914421

IUPAC1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN(Cc2ccncc2Cl)C1.Cl.Cl
InChIInChI=1S/C13H20ClN3.2ClH/c1-15-7-11-3-2-6-17(9-11)10-12-4-5-16-8-13(12)14;;/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3;2*1H
InChIKeyYPRBCAVGNMQNEB-UHFFFAOYSA-N
MW326.70 g/mol
LogP3.01
Rot. Bonds4

About 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride

1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 119914421) has the molecular formula C13H22Cl3N3 and a molecular weight of 326.70 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
PubChem CID119914421
Molecular FormulaC13H22Cl3N3
Molecular Weight326.70 g/mol
Exact Mass325.09
IUPAC Name1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCCN(Cc2ccncc2Cl)C1.Cl.Cl
InChIInChI=1S/C13H20ClN3.2ClH/c1-15-7-11-3-2-6-17(9-11)10-12-4-5-16-8-13(12)14;;/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3;2*1H
InChIKeyYPRBCAVGNMQNEB-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
1-[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120965928
1-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120835764
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033
3-[(3R)-1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 97270149
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
methyl 4-chloro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoate
CID 120835692
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride (CID 119914421) is 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride is CNCC1CCCN(Cc2ccncc2Cl)C1.Cl.Cl.
What is the InChIKey of 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is YPRBCAVGNMQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3.2ClH/c1-15-7-11-3-2-6-17(9-11)10-12-4-5-16-8-13(12)14;;/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3;2*1H.
What are the key properties of 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride?
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 326.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 119914421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).