6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol

C17H27N3O — CID 82962048

IUPAC6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C17H27N3O/c1-14-4-5-17(21)16(18-14)13-20-10-6-15(7-11-20)12-19-8-2-3-9-19/h4-5,15,21H,2-3,6-13H2,1H3
InChIKeyTUKFCGDIQFDDRA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds4

About 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol (PubChem CID 82962048) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
PubChem CID82962048
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C17H27N3O/c1-14-4-5-17(21)16(18-14)13-20-10-6-15(7-11-20)12-19-8-2-3-9-19/h4-5,15,21H,2-3,6-13H2,1H3
InChIKeyTUKFCGDIQFDDRA-UHFFFAOYSA-N
XLogP2.40
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 80550845
6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
CID 82980583
2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
CID 82981092
2-[(4-ethoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982184
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82976559
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
6-methyl-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]pyridin-3-ol
CID 79158948
3,6-dichloro-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 62995997
2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82983735
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 82979654
2-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 120781556
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol (CID 82962048) is 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(CN2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol?
The InChIKey is TUKFCGDIQFDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-4-5-17(21)16(18-14)13-20-10-6-15(7-11-20)12-19-8-2-3-9-19/h4-5,15,21H,2-3,6-13H2,1H3.
What are the key properties of 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol has a molecular weight of 289.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 82962048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).