2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

C15H30N2O — CID 114597525

IUPAC2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCC(CO)NC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-11-8-12(2)13(3)17(9-11)7-6-15(10-18)16-14-4-5-14/h11-16,18H,4-10H2,1-3H3
InChIKeyKLVZRBYYVCALQK-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds6

About 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (PubChem CID 114597525) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
PubChem CID114597525
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCC(CO)NC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-11-8-12(2)13(3)17(9-11)7-6-15(10-18)16-14-4-5-14/h11-16,18H,4-10H2,1-3H3
InChIKeyKLVZRBYYVCALQK-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)butan-1-ol
CID 64786433
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
CID 112734610
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol
CID 65322509
2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
CID 64795516
2-(cyclopropylamino)-4-(2-ethylpyrrolidin-1-yl)butan-1-ol
CID 64790972
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
CID 114593809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (CID 114597525) is 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is CC1CC(C)C(C)N(CCC(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is KLVZRBYYVCALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-8-12(2)13(3)17(9-11)7-6-15(10-18)16-14-4-5-14/h11-16,18H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114597525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).