(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine

C19H33N3 — CID 22689518

IUPAC(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
SMILESCCC(C)[C@H](N)CN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H33N3/c1-3-17(2)19(20)16-22-14-12-21(13-15-22)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19H,3,7,10-16,20H2,1-2H3/t17?,19-/m1/s1
InChIKeyXEFKROPEXRNLDO-WHCXFUJUSA-N
MW303.49 g/mol
LogP2.61
Rot. Bonds8

About (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine

(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine (PubChem CID 22689518) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
PubChem CID22689518
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
SMILESCCC(C)[C@H](N)CN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C19H33N3/c1-3-17(2)19(20)16-22-14-12-21(13-15-22)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19H,3,7,10-16,20H2,1-2H3/t17?,19-/m1/s1
InChIKeyXEFKROPEXRNLDO-WHCXFUJUSA-N
XLogP2.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
2-amino-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 75449499
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
ethyl 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]benzoate
CID 11989461
3-amino-3-[4-(3-phenylpropyl)piperazin-1-yl]propanal
CID 100932421
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]methanamine
CID 107160658
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
2-methyl-2-[4-(3-phenylpropyl)piperazin-1-yl]propanethioamide
CID 63342485

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine (CID 22689518) is (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine is CCC(C)[C@H](N)CN1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is XEFKROPEXRNLDO-WHCXFUJUSA-N. The full InChI is InChI=1S/C19H33N3/c1-3-17(2)19(20)16-22-14-12-21(13-15-22)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19H,3,7,10-16,20H2,1-2H3/t17?,19-/m1/s1.
What are the key properties of (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine?
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 22689518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).