[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol

C12H20N2O — CID 95857163

IUPAC[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cccc1CN1CCC[C@H](CO)C1
InChIInChI=1S/C12H20N2O/c1-13-6-3-5-12(13)9-14-7-2-4-11(8-14)10-15/h3,5-6,11,15H,2,4,7-10H2,1H3/t11-/m0/s1
InChIKeyIGJVRHFAXMTZPH-NSHDSACASA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds3

About [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 95857163) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID95857163
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cccc1CN1CCC[C@H](CO)C1
InChIInChI=1S/C12H20N2O/c1-13-6-3-5-12(13)9-14-7-2-4-11(8-14)10-15/h3,5-6,11,15H,2,4,7-10H2,1H3/t11-/m0/s1
InChIKeyIGJVRHFAXMTZPH-NSHDSACASA-N
XLogP1.23
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857174
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939
N-methyl-3-[[(3R)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124959550
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
tert-butyl N-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]carbamate
CID 99834176
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol (CID 95857163) is [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol is Cn1cccc1CN1CCC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is IGJVRHFAXMTZPH-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-6-3-5-12(13)9-14-7-2-4-11(8-14)10-15/h3,5-6,11,15H,2,4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 208.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).