N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine

C17H28N2 — CID 60542956

IUPACN,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
SMILESCC(c1ccccc1)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C17H28N2/c1-15(17-7-5-4-6-8-17)19-13-10-16(11-14-19)9-12-18(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyHXIDPONPRIJLMP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.41
Rot. Bonds5

About N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine

N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine (PubChem CID 60542956) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
PubChem CID60542956
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
SMILESCC(c1ccccc1)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C17H28N2/c1-15(17-7-5-4-6-8-17)19-13-10-16(11-14-19)9-12-18(2)3/h4-8,15-16H,9-14H2,1-3H3
InChIKeyHXIDPONPRIJLMP-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine (CID 60542956) is N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine is CC(c1ccccc1)N1CCC(CCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine?
The InChIKey is HXIDPONPRIJLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(17-7-5-4-6-8-17)19-13-10-16(11-14-19)9-12-18(2)3/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 60542956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).