[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol

C18H36N2O — CID 104968989

IUPAC[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H36N2O/c1-4-12-19-18(14-21)11-6-9-17(18)10-13-20-15(2)7-5-8-16(20)3/h15-17,19,21H,4-14H2,1-3H3/t15-,16+,17?,18?
InChIKeyUFYSOERQVXRFFU-OQSMONGASA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds7

About [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol

[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 104968989) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID104968989
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H36N2O/c1-4-12-19-18(14-21)11-6-9-17(18)10-13-20-15(2)7-5-8-16(20)3/h15-17,19,21H,4-14H2,1-3H3/t15-,16+,17?,18?
InChIKeyUFYSOERQVXRFFU-OQSMONGASA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol (CID 104968989) is [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is UFYSOERQVXRFFU-OQSMONGASA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-12-19-18(14-21)11-6-9-17(18)10-13-20-15(2)7-5-8-16(20)3/h15-17,19,21H,4-14H2,1-3H3/t15-,16+,17?,18?.
What are the key properties of [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 104968989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).