N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride

C13H27ClN2 — CID 119932017

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
SMILESCC(C)N(CC1CCNCC1)C1CCC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11(2)15(13-4-3-5-13)10-12-6-8-14-9-7-12;/h11-14H,3-10H2,1-2H3;1H
InChIKeyQURGORUBROKNGD-UHFFFAOYSA-N
MW246.83 g/mol
LogP2.67
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride

N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride (PubChem CID 119932017) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
PubChem CID119932017
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
SMILESCC(C)N(CC1CCNCC1)C1CCC1.Cl
InChIInChI=1S/C13H26N2.ClH/c1-11(2)15(13-4-3-5-13)10-12-6-8-14-9-7-12;/h11-14H,3-10H2,1-2H3;1H
InChIKeyQURGORUBROKNGD-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
1-cyclopropyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79716145
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 107707670
N-cyclopropyl-N-(piperidin-4-ylmethyl)cyclobutanamine
CID 79716019
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
ethane;N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutanamine;propane;hydrate
CID 171564870
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
CID 116535691
1-cyclobutyl-N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)methanamine
CID 120858205

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride (CID 119932017) is N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride is CC(C)N(CC1CCNCC1)C1CCC1.Cl.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride?
The InChIKey is QURGORUBROKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-11(2)15(13-4-3-5-13)10-12-6-8-14-9-7-12;/h11-14H,3-10H2,1-2H3;1H.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride?
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride has a molecular weight of 246.83 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride is sourced from PubChem (CID 119932017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).