(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine

C14H23N3 — CID 93102230

IUPAC(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
SMILESCN1CCN(C[C@H](CN)c2ccccc2)CC1
InChIInChI=1S/C14H23N3/c1-16-7-9-17(10-8-16)12-14(11-15)13-5-3-2-4-6-13/h2-6,14H,7-12,15H2,1H3/t14-/m0/s1
InChIKeyOEXXAFLGTMXEKM-AWEZNQCLSA-N
MW233.36 g/mol
LogP0.98
Rot. Bonds4

About (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine

(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine (PubChem CID 93102230) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
PubChem CID93102230
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
SMILESCN1CCN(C[C@H](CN)c2ccccc2)CC1
InChIInChI=1S/C14H23N3/c1-16-7-9-17(10-8-16)12-14(11-15)13-5-3-2-4-6-13/h2-6,14H,7-12,15H2,1H3/t14-/m0/s1
InChIKeyOEXXAFLGTMXEKM-AWEZNQCLSA-N
XLogP0.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 82095191
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 62368084
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
4-(3-amino-2-phenylpropyl)-1-methyl-1,4-diazepan-2-one
CID 102888622
3-(2-ethylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 43562330
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
2-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzoic acid
CID 67612586
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine?
The IUPAC name of (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine (CID 93102230) is (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine?
The canonical SMILES for (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine is CN1CCN(C[C@H](CN)c2ccccc2)CC1.
What is the InChIKey of (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine?
The InChIKey is OEXXAFLGTMXEKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-7-9-17(10-8-16)12-14(11-15)13-5-3-2-4-6-13/h2-6,14H,7-12,15H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine?
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 93102230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).