N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine

C18H30N2 — CID 106624545

IUPACN-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCNC1)C(C)CCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(15-18-10-7-13-19-14-18)16(2)11-12-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyPIRAACRYGNXCCY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine

N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine (PubChem CID 106624545) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
PubChem CID106624545
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCNC1)C(C)CCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(15-18-10-7-13-19-14-18)16(2)11-12-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyPIRAACRYGNXCCY-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
N-ethyl-N-(piperidin-3-ylmethyl)heptan-4-amine
CID 106624422
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine?
The IUPAC name of N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine (CID 106624545) is N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine is CCN(CC1CCCNC1)C(C)CCc1ccccc1.
What is the InChIKey of N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine?
The InChIKey is PIRAACRYGNXCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(15-18-10-7-13-19-14-18)16(2)11-12-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3.
What are the key properties of N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine?
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 106624545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).