2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol

C17H29N3O — CID 107228161

IUPAC2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
SMILESCc1cc(CNC(C)C)cnc1N1CCCC(CCO)C1
InChIInChI=1S/C17H29N3O/c1-13(2)18-10-16-9-14(3)17(19-11-16)20-7-4-5-15(12-20)6-8-21/h9,11,13,15,18,21H,4-8,10,12H2,1-3H3
InChIKeyDSWDCBLANJMLKN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds6

About 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol

2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107228161) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107228161
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
SMILESCc1cc(CNC(C)C)cnc1N1CCCC(CCO)C1
InChIInChI=1S/C17H29N3O/c1-13(2)18-10-16-9-14(3)17(19-11-16)20-7-4-5-15(12-20)6-8-21/h9,11,13,15,18,21H,4-8,10,12H2,1-3H3
InChIKeyDSWDCBLANJMLKN-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80627944
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635386
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630199

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol (CID 107228161) is 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol is Cc1cc(CNC(C)C)cnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is DSWDCBLANJMLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)18-10-16-9-14(3)17(19-11-16)20-7-4-5-15(12-20)6-8-21/h9,11,13,15,18,21H,4-8,10,12H2,1-3H3.
What are the key properties of 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).