[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol

C18H29N3O — CID 97122738

IUPAC[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESCN(C)c1ccc(CN2CCC[C@](CO)(CC3CC3)C2)cn1
InChIInChI=1S/C18H29N3O/c1-20(2)17-7-6-16(11-19-17)12-21-9-3-8-18(13-21,14-22)10-15-4-5-15/h6-7,11,15,22H,3-5,8-10,12-14H2,1-2H3/t18-/m0/s1
InChIKeyWBQRBRFCUMSMRV-SFHVURJKSA-N
MW303.45 g/mol
LogP2.52
Rot. Bonds6

About [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol

[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol (PubChem CID 97122738) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
PubChem CID97122738
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
SMILESCN(C)c1ccc(CN2CCC[C@](CO)(CC3CC3)C2)cn1
InChIInChI=1S/C18H29N3O/c1-20(2)17-7-6-16(11-19-17)12-21-9-3-8-18(13-21,14-22)10-15-4-5-15/h6-7,11,15,22H,3-5,8-10,12-14H2,1-2H3/t18-/m0/s1
InChIKeyWBQRBRFCUMSMRV-SFHVURJKSA-N
XLogP2.52
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 70730752
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70736905
5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 97125856
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
[3-[(4-fluorophenyl)methyl]-1-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]pyrrolidin-3-yl]methanol
CID 126808365
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol (CID 97122738) is [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol is CN(C)c1ccc(CN2CCC[C@](CO)(CC3CC3)C2)cn1.
What is the InChIKey of [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
The InChIKey is WBQRBRFCUMSMRV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)17-7-6-16(11-19-17)12-21-9-3-8-18(13-21,14-22)10-15-4-5-15/h6-7,11,15,22H,3-5,8-10,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol?
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97122738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).