3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine

C19H32N2 — CID 43711931

IUPAC3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NC(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-15(2)14-19(18-8-6-5-7-9-18)20-16(3)17-10-12-21(4)13-11-17/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyCTBYJFVPFAGRLN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

About 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine

3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43711931) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID43711931
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NC(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-15(2)14-19(18-8-6-5-7-9-18)20-16(3)17-10-12-21(4)13-11-17/h5-9,15-17,19-20H,10-14H2,1-4H3
InChIKeyCTBYJFVPFAGRLN-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine (CID 43711931) is 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine is CC(C)CC(NC(C)C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is CTBYJFVPFAGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)14-19(18-8-6-5-7-9-18)20-16(3)17-10-12-21(4)13-11-17/h5-9,15-17,19-20H,10-14H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43711931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).