[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

C16H32N2O — CID 79656843

IUPAC[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CC(C)CN(C2CCC(CO)(NC(C)C)C2)C1
InChIInChI=1S/C16H32N2O/c1-12(2)17-16(11-19)6-5-15(8-16)18-9-13(3)7-14(4)10-18/h12-15,17,19H,5-11H2,1-4H3
InChIKeyZCOSEMLQAHYVGY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds4

About [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656843) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656843
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC1CC(C)CN(C2CCC(CO)(NC(C)C)C2)C1
InChIInChI=1S/C16H32N2O/c1-12(2)17-16(11-19)6-5-15(8-16)18-9-13(3)7-14(4)10-18/h12-15,17,19H,5-11H2,1-4H3
InChIKeyZCOSEMLQAHYVGY-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79634714
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656613
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656843) is [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is CC1CC(C)CN(C2CCC(CO)(NC(C)C)C2)C1.
What is the InChIKey of [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is ZCOSEMLQAHYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)17-16(11-19)6-5-15(8-16)18-9-13(3)7-14(4)10-18/h12-15,17,19H,5-11H2,1-4H3.
What are the key properties of [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).