(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol

C14H30N2O — CID 144712129

IUPAC(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
SMILESCCC[C@H](O)CCCCCN1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-3-7-14(17)8-5-4-6-9-16-12-10-15(2)11-13-16/h14,17H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyUCUNCZDMZNBKNJ-AWEZNQCLSA-N
MW242.41 g/mol
LogP1.96
Rot. Bonds8

About (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol

(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol (PubChem CID 144712129) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol.

Molecular Properties

Compound Name(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
PubChem CID144712129
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
SMILESCCC[C@H](O)CCCCCN1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-3-7-14(17)8-5-4-6-9-16-12-10-15(2)11-13-16/h14,17H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyUCUNCZDMZNBKNJ-AWEZNQCLSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
CID 118889926
18-morpholin-4-yloctadecan-7-ol
CID 154324774
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-methyl-4-pentylpiperazine
CID 145099418
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-[2-[2-[2-[2-[bis(2-hydroxydodecyl)amino]ethylsulfanyl]ethyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethylsulfanyl]ethyl-(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171080509
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435

Frequently Asked Questions

What is the IUPAC name of (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol?
The IUPAC name of (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol (CID 144712129) is (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol.
What is the SMILES notation for (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol?
The canonical SMILES for (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol is CCC[C@H](O)CCCCCN1CCN(C)CC1.
What is the InChIKey of (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol?
The InChIKey is UCUNCZDMZNBKNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-7-14(17)8-5-4-6-9-16-12-10-15(2)11-13-16/h14,17H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol?
(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol has a molecular weight of 242.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol is sourced from PubChem (CID 144712129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).