N-phenyl-2-(piperidin-1-ylmethyl)aniline

C18H22N2 — CID 162401807

IUPACN-phenyl-2-(piperidin-1-ylmethyl)aniline
SMILESc1ccc(Nc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C18H22N2/c1-3-10-17(11-4-1)19-18-12-6-5-9-16(18)15-20-13-7-2-8-14-20/h1,3-6,9-12,19H,2,7-8,13-15H2
InChIKeyKWDYYMUQGHHGFD-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.42
Rot. Bonds4

About N-phenyl-2-(piperidin-1-ylmethyl)aniline

N-phenyl-2-(piperidin-1-ylmethyl)aniline (PubChem CID 162401807) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-phenyl-2-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-phenyl-2-(piperidin-1-ylmethyl)aniline
PubChem CID162401807
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-phenyl-2-(piperidin-1-ylmethyl)aniline
SMILESc1ccc(Nc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C18H22N2/c1-3-10-17(11-4-1)19-18-12-6-5-9-16(18)15-20-13-7-2-8-14-20/h1,3-6,9-12,19H,2,7-8,13-15H2
InChIKeyKWDYYMUQGHHGFD-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydrazine
CID 169384769
4-anilino-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417336
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
1-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]methanesulfonamide
CID 63666626
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-benzylazepane
CID 10954328
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
4-anilino-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione
CID 15632148
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(piperidin-1-ylmethyl)aniline?
The IUPAC name of N-phenyl-2-(piperidin-1-ylmethyl)aniline (CID 162401807) is N-phenyl-2-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for N-phenyl-2-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for N-phenyl-2-(piperidin-1-ylmethyl)aniline is c1ccc(Nc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of N-phenyl-2-(piperidin-1-ylmethyl)aniline?
The InChIKey is KWDYYMUQGHHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-10-17(11-4-1)19-18-12-6-5-9-16(18)15-20-13-7-2-8-14-20/h1,3-6,9-12,19H,2,7-8,13-15H2.
What are the key properties of N-phenyl-2-(piperidin-1-ylmethyl)aniline?
N-phenyl-2-(piperidin-1-ylmethyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 162401807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).