N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine

C21H28N2 — CID 44588216

IUPACN,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C21H28N2/c1-22(2)16-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-23-14-4-3-5-15-23/h6-13H,3-5,14-17H2,1-2H3
InChIKeyAQLATWYNLVIGGU-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.40
Rot. Bonds5

About N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine

N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine (PubChem CID 44588216) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
PubChem CID44588216
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C21H28N2/c1-22(2)16-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-23-14-4-3-5-15-23/h6-13H,3-5,14-17H2,1-2H3
InChIKeyAQLATWYNLVIGGU-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine (CID 44588216) is N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine is CN(C)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine?
The InChIKey is AQLATWYNLVIGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-22(2)16-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-23-14-4-3-5-15-23/h6-13H,3-5,14-17H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine?
N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine has a molecular weight of 308.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 44588216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).