1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol

C13H21N3O — CID 145197805

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
SMILESCN(C)c1ccc(CN2CCC(O)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-15(2)13-4-3-11(9-14-13)10-16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyRSWGXIAUJHIPCW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.10
Rot. Bonds3

About 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol

1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol (PubChem CID 145197805) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
PubChem CID145197805
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
SMILESCN(C)c1ccc(CN2CCC(O)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-15(2)13-4-3-11(9-14-13)10-16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyRSWGXIAUJHIPCW-UHFFFAOYSA-N
XLogP1.10
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
CID 154901165
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
methyl 4-[4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-1-yl]benzoate
CID 56890848
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
CID 154571202
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol (CID 145197805) is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol is CN(C)c1ccc(CN2CCC(O)CC2)cn1.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is RSWGXIAUJHIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)13-4-3-11(9-14-13)10-16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol?
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 145197805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).