N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine

C19H29ClN2 — CID 138057875

IUPACN-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine
SMILESCCC(Cc1ccc(Cl)cc1)NC1CCN(C2CCC2)CC1
InChIInChI=1S/C19H29ClN2/c1-2-17(14-15-6-8-16(20)9-7-15)21-18-10-12-22(13-11-18)19-4-3-5-19/h6-9,17-19,21H,2-5,10-14H2,1H3
InChIKeyAOUJJFCDVCPVBX-UHFFFAOYSA-N
MW320.91 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine

N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine (PubChem CID 138057875) has the molecular formula C19H29ClN2 and a molecular weight of 320.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine
PubChem CID138057875
Molecular FormulaC19H29ClN2
Molecular Weight320.91 g/mol
Exact Mass320.20
IUPAC NameN-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine
SMILESCCC(Cc1ccc(Cl)cc1)NC1CCN(C2CCC2)CC1
InChIInChI=1S/C19H29ClN2/c1-2-17(14-15-6-8-16(20)9-7-15)21-18-10-12-22(13-11-18)19-4-3-5-19/h6-9,17-19,21H,2-5,10-14H2,1H3
InChIKeyAOUJJFCDVCPVBX-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
CID 82350551
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
CID 141138264
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine (CID 138057875) is N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine is CCC(Cc1ccc(Cl)cc1)NC1CCN(C2CCC2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine?
The InChIKey is AOUJJFCDVCPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2/c1-2-17(14-15-6-8-16(20)9-7-15)21-18-10-12-22(13-11-18)19-4-3-5-19/h6-9,17-19,21H,2-5,10-14H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine?
N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine has a molecular weight of 320.91 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butan-2-yl]-1-cyclobutylpiperidin-4-amine is sourced from PubChem (CID 138057875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).