2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol

C15H30N2O — CID 60886265

IUPAC2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
SMILESCC1CCCCN1CCCNC1CCCCC1O
InChIInChI=1S/C15H30N2O/c1-13-7-4-5-11-17(13)12-6-10-16-14-8-2-3-9-15(14)18/h13-16,18H,2-12H2,1H3
InChIKeyKHUFXQZCHVYGDC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.14
Rot. Bonds5

About 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol

2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol (PubChem CID 60886265) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
PubChem CID60886265
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
SMILESCC1CCCCN1CCCNC1CCCCC1O
InChIInChI=1S/C15H30N2O/c1-13-7-4-5-11-17(13)12-6-10-16-14-8-2-3-9-15(14)18/h13-16,18H,2-12H2,1H3
InChIKeyKHUFXQZCHVYGDC-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 110933279
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65087209
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol (CID 60886265) is 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol is CC1CCCCN1CCCNC1CCCCC1O.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol?
The InChIKey is KHUFXQZCHVYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-7-4-5-11-17(13)12-6-10-16-14-8-2-3-9-15(14)18/h13-16,18H,2-12H2,1H3.
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol?
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol is sourced from PubChem (CID 60886265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).