[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol

C16H32N2O2 — CID 107395960

IUPAC[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCCC(C)(OC)C2)C1
InChIInChI=1S/C16H32N2O2/c1-4-9-17-16(13-19)8-6-14(11-16)18-10-5-7-15(2,12-18)20-3/h14,17,19H,4-13H2,1-3H3
InChIKeyMSKMKZTUVLFCQC-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.77
Rot. Bonds6

About [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol

[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 107395960) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
PubChem CID107395960
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCCC(C)(OC)C2)C1
InChIInChI=1S/C16H32N2O2/c1-4-9-17-16(13-19)8-6-14(11-16)18-10-5-7-15(2,12-18)20-3/h14,17,19H,4-13H2,1-3H3
InChIKeyMSKMKZTUVLFCQC-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol (CID 107395960) is [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N2CCCC(C)(OC)C2)C1.
What is the InChIKey of [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is MSKMKZTUVLFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-9-17-16(13-19)8-6-14(11-16)18-10-5-7-15(2,12-18)20-3/h14,17,19H,4-13H2,1-3H3.
What are the key properties of [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol?
[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 284.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 107395960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).