(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine

C16H27N3 — CID 82380060

IUPAC(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)C1CN(Cc2ccccc2)CCN1C
InChIInChI=1S/C16H27N3/c1-13(2)16(17)15-12-19(10-9-18(15)3)11-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,17H2,1-3H3/t15?,16-/m0/s1
InChIKeyXOVXPHUCVBJUTK-LYKKTTPLSA-N
MW261.41 g/mol
LogP1.79
Rot. Bonds4

About (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine

(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine (PubChem CID 82380060) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
PubChem CID82380060
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)C1CN(Cc2ccccc2)CCN1C
InChIInChI=1S/C16H27N3/c1-13(2)16(17)15-12-19(10-9-18(15)3)11-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,17H2,1-3H3/t15?,16-/m0/s1
InChIKeyXOVXPHUCVBJUTK-LYKKTTPLSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
4-benzyl-2-fluoro-1-methylpiperazine
CID 57015746
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
CID 69210671
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine (CID 82380060) is (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine is CC(C)[C@H](N)C1CN(Cc2ccccc2)CCN1C.
What is the InChIKey of (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine?
The InChIKey is XOVXPHUCVBJUTK-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)16(17)15-12-19(10-9-18(15)3)11-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,17H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine?
(1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-benzyl-1-methylpiperazin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82380060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).