1-benzhydrylpiperidin-4-amine;cyclobutane

C22H30N2 — CID 18425735

IUPAC1-benzhydrylpiperidin-4-amine;cyclobutane
SMILESC1CCC1.NC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H22N2.C4H8/c19-17-11-13-20(14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-4-3-1/h1-10,17-18H,11-14,19H2;1-4H2
InChIKeyFXQKWFJDKUPUHY-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.76
Rot. Bonds3

About 1-benzhydrylpiperidin-4-amine;cyclobutane

1-benzhydrylpiperidin-4-amine;cyclobutane (PubChem CID 18425735) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-benzhydrylpiperidin-4-amine;cyclobutane.

Molecular Properties

Compound Name1-benzhydrylpiperidin-4-amine;cyclobutane
PubChem CID18425735
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-benzhydrylpiperidin-4-amine;cyclobutane
SMILESC1CCC1.NC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H22N2.C4H8/c19-17-11-13-20(14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-4-3-1/h1-10,17-18H,11-14,19H2;1-4H2
InChIKeyFXQKWFJDKUPUHY-UHFFFAOYSA-N
XLogP4.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[phenyl(pyridin-2-yl)methyl]piperidin-4-amine
CID 43130878
(3S)-1-benzhydrylpiperidin-3-amine
CID 126674117
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-[iodo(phenyl)methyl]piperidin-4-amine
CID 19366322
4-(1-benzhydrylpiperidin-4-yl)oxyaniline
CID 86008427
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
1-benzhydryl-4-methylpiperazine
CID 6726
1-benzhydryl-3-ethylpiperidine
CID 22970041
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylpiperidin-4-amine;cyclobutane?
The IUPAC name of 1-benzhydrylpiperidin-4-amine;cyclobutane (CID 18425735) is 1-benzhydrylpiperidin-4-amine;cyclobutane.
What is the SMILES notation for 1-benzhydrylpiperidin-4-amine;cyclobutane?
The canonical SMILES for 1-benzhydrylpiperidin-4-amine;cyclobutane is C1CCC1.NC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydrylpiperidin-4-amine;cyclobutane?
The InChIKey is FXQKWFJDKUPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.C4H8/c19-17-11-13-20(14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2-4-3-1/h1-10,17-18H,11-14,19H2;1-4H2.
What are the key properties of 1-benzhydrylpiperidin-4-amine;cyclobutane?
1-benzhydrylpiperidin-4-amine;cyclobutane has a molecular weight of 322.50 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylpiperidin-4-amine;cyclobutane is sourced from PubChem (CID 18425735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).