(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine

C12H27N3 — CID 93255682

IUPAC(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
SMILESCCC[C@H](N)CN1CCN(CCC)CC1
InChIInChI=1S/C12H27N3/c1-3-5-12(13)11-15-9-7-14(6-4-2)8-10-15/h12H,3-11,13H2,1-2H3/t12-/m0/s1
InChIKeyAENFXKDCVHKIFD-LBPRGKRZSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds6

About (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine

(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine (PubChem CID 93255682) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
PubChem CID93255682
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
SMILESCCC[C@H](N)CN1CCN(CCC)CC1
InChIInChI=1S/C12H27N3/c1-3-5-12(13)11-15-9-7-14(6-4-2)8-10-15/h12H,3-11,13H2,1-2H3/t12-/m0/s1
InChIKeyAENFXKDCVHKIFD-LBPRGKRZSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
1-piperidin-1-ylpentan-2-amine
CID 43650435
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-(3-azaspiro[5.5]undecan-3-yl)pentan-2-amine
CID 62938096
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
CID 67575951
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine (CID 93255682) is (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine is CCC[C@H](N)CN1CCN(CCC)CC1.
What is the InChIKey of (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine?
The InChIKey is AENFXKDCVHKIFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-5-12(13)11-15-9-7-14(6-4-2)8-10-15/h12H,3-11,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine?
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 93255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).