1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine

C19H30N2 — CID 81369214

IUPAC1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(N[C@H](C)c2cccc(C)c2)CC1
InChIInChI=1S/C19H30N2/c1-15(2)8-11-21-12-9-19(10-13-21)20-17(4)18-7-5-6-16(3)14-18/h5-8,14,17,19-20H,9-13H2,1-4H3/t17-/m1/s1
InChIKeyRZLAUYADEFKWLZ-QGZVFWFLSA-N
MW286.46 g/mol
LogP4.08
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 81369214) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
PubChem CID81369214
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(N[C@H](C)c2cccc(C)c2)CC1
InChIInChI=1S/C19H30N2/c1-15(2)8-11-21-12-9-19(10-13-21)20-17(4)18-7-5-6-16(3)14-18/h5-8,14,17,19-20H,9-13H2,1-4H3/t17-/m1/s1
InChIKeyRZLAUYADEFKWLZ-QGZVFWFLSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81381712
1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841679
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 103781191
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
N-[(1S)-1-(3-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81364522
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine (CID 81369214) is 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine is CC(C)=CCN1CCC(N[C@H](C)c2cccc(C)c2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is RZLAUYADEFKWLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)8-11-21-12-9-19(10-13-21)20-17(4)18-7-5-6-16(3)14-18/h5-8,14,17,19-20H,9-13H2,1-4H3/t17-/m1/s1.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 286.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81369214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).