(4S)-4-piperazin-1-ylpentan-1-ol

C9H20N2O — CID 94830721

IUPAC(4S)-4-piperazin-1-ylpentan-1-ol
SMILESC[C@@H](CCCO)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(3-2-8-12)11-6-4-10-5-7-11/h9-10,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyJYSSMBPURBAFPB-VIFPVBQESA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds4

About (4S)-4-piperazin-1-ylpentan-1-ol

(4S)-4-piperazin-1-ylpentan-1-ol (PubChem CID 94830721) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S)-4-piperazin-1-ylpentan-1-ol.

Molecular Properties

Compound Name(4S)-4-piperazin-1-ylpentan-1-ol
PubChem CID94830721
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(4S)-4-piperazin-1-ylpentan-1-ol
SMILESC[C@@H](CCCO)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(3-2-8-12)11-6-4-10-5-7-11/h9-10,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyJYSSMBPURBAFPB-VIFPVBQESA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptan-2-ylpiperazine
CID 61464712
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
(4S)-4-(4-aminopiperidin-1-yl)pentan-1-ol
CID 94830708
1-octan-2-yl-1,4-diazepane
CID 61057071
4-methyl-3-piperazin-1-ylpentan-1-ol
CID 83817608
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
cyanamide;cyclopentane;1-hexan-2-ylpiperazine
CID 143761748
1-hexan-2-yl-1,5-diazocane
CID 62200653
1-(1-iodopropan-2-yl)piperazine
CID 69349965
4-methyl-N-(3-piperazin-1-ylbutyl)pentan-1-amine
CID 115255515
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221

Frequently Asked Questions

What is the IUPAC name of (4S)-4-piperazin-1-ylpentan-1-ol?
The IUPAC name of (4S)-4-piperazin-1-ylpentan-1-ol (CID 94830721) is (4S)-4-piperazin-1-ylpentan-1-ol.
What is the SMILES notation for (4S)-4-piperazin-1-ylpentan-1-ol?
The canonical SMILES for (4S)-4-piperazin-1-ylpentan-1-ol is C[C@@H](CCCO)N1CCNCC1.
What is the InChIKey of (4S)-4-piperazin-1-ylpentan-1-ol?
The InChIKey is JYSSMBPURBAFPB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(3-2-8-12)11-6-4-10-5-7-11/h9-10,12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-4-piperazin-1-ylpentan-1-ol?
(4S)-4-piperazin-1-ylpentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-piperazin-1-ylpentan-1-ol is sourced from PubChem (CID 94830721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).