(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine

C14H20N2 — CID 139425716

IUPAC(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine
SMILESC=C(C)c1ccc(N2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C14H20N2/c1-11(2)13-4-6-14(7-5-13)16-9-8-15-12(3)10-16/h4-7,12,15H,1,8-10H2,2-3H3/t12-/m0/s1
InChIKeyGFNHAHOGMXCCBM-LBPRGKRZSA-N
MW216.33 g/mol
LogP2.52
Rot. Bonds2

About (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine

(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine (PubChem CID 139425716) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine
PubChem CID139425716
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine
SMILESC=C(C)c1ccc(N2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C14H20N2/c1-11(2)13-4-6-14(7-5-13)16-9-8-15-12(3)10-16/h4-7,12,15H,1,8-10H2,2-3H3/t12-/m0/s1
InChIKeyGFNHAHOGMXCCBM-LBPRGKRZSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylpiperazin-1-yl)aniline
CID 23287543
4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
ethyl 4-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 70155537
(3R)-3-methyl-1-(4-phenylphenyl)piperazine
CID 58223220
3-methyl-1-naphthalen-2-ylpiperazine
CID 55104948
1,1,1,3,3,3-hexafluoro-2-[4-[(3R)-3-methylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670311
(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
CID 11543442
1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
CID 64925028
2-methyl-4-(3-methylpiperazin-1-yl)benzamide
CID 81279360
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668
5-[(3R)-3-methylpiperazin-1-yl]pyridin-2-amine
CID 141318309
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine (CID 139425716) is (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine is C=C(C)c1ccc(N2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine?
The InChIKey is GFNHAHOGMXCCBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(2)13-4-6-14(7-5-13)16-9-8-15-12(3)10-16/h4-7,12,15H,1,8-10H2,2-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine?
(3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine has a molecular weight of 216.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(4-prop-1-en-2-ylphenyl)piperazine is sourced from PubChem (CID 139425716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).