[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine

C12H18ClN3O — CID 114284096

IUPAC[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine
SMILESCOC1(CN)CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C12H18ClN3O/c1-17-12(9-14)4-7-16(8-5-12)11-10(13)3-2-6-15-11/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyZOSUOKAQCFVDMM-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.68
Rot. Bonds3

About [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine

[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine (PubChem CID 114284096) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine
PubChem CID114284096
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine
SMILESCOC1(CN)CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C12H18ClN3O/c1-17-12(9-14)4-7-16(8-5-12)11-10(13)3-2-6-15-11/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyZOSUOKAQCFVDMM-UHFFFAOYSA-N
XLogP1.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
CID 75515554
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
CID 69359259
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
3-chloro-2-(3-methylazetidin-1-yl)pyridine
CID 103094608
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-ethoxycyclopentyl)methanone
CID 126810332
[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
CID 114598405
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 60869702
8-(3-chloro-2-pyridinyl)-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172670589
2-[4-(2-bromoethoxy)piperidin-1-yl]-3-chloropyridine
CID 82701521

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine (CID 114284096) is [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine is COC1(CN)CCN(c2ncccc2Cl)CC1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine?
The InChIKey is ZOSUOKAQCFVDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-17-12(9-14)4-7-16(8-5-12)11-10(13)3-2-6-15-11/h2-3,6H,4-5,7-9,14H2,1H3.
What are the key properties of [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine?
[1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)-4-methoxypiperidin-4-yl]methanamine is sourced from PubChem (CID 114284096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).