4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol

C14H28N2O — CID 106640266

IUPAC4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16(13-5-6-13)11-12-4-3-8-15-10-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyGZCCMKCSLSRIAK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds6

About 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol

4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol (PubChem CID 106640266) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
PubChem CID106640266
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-14(2,17)7-9-16(13-5-6-13)11-12-4-3-8-15-10-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyGZCCMKCSLSRIAK-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-(piperidin-3-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropanamine
CID 106640104
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol (CID 106640266) is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol is CC(C)(O)CCN(CC1CCCNC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol?
The InChIKey is GZCCMKCSLSRIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,17)7-9-16(13-5-6-13)11-12-4-3-8-15-10-12/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol?
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 106640266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).