2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol

C15H30N2O5 — CID 139982732

IUPAC2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol
SMILESOC(O)(O)C(O)(O)N1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C15H30N2O5/c18-14(19,15(20,21)22)17-10-6-13(7-11-17)3-1-2-12-4-8-16-9-5-12/h12-13,16,18-22H,1-11H2
InChIKeyAURRCLKOKNHGBU-UHFFFAOYSA-N
MW318.41 g/mol
LogP-0.86
Rot. Bonds6

About 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol

2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol (PubChem CID 139982732) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol.

Molecular Properties

Compound Name2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol
PubChem CID139982732
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Name2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol
SMILESOC(O)(O)C(O)(O)N1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C15H30N2O5/c18-14(19,15(20,21)22)17-10-6-13(7-11-17)3-1-2-12-4-8-16-9-5-12/h12-13,16,18-22H,1-11H2
InChIKeyAURRCLKOKNHGBU-UHFFFAOYSA-N
XLogP-0.86
TPSA116.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 5-0.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol with MolForge

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Related Compounds

piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
5-piperidin-4-ylpentan-1-ol
CID 20528701
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;formonitrile
CID 142168007
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol?
The IUPAC name of 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol (CID 139982732) is 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol.
What is the SMILES notation for 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol?
The canonical SMILES for 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol is OC(O)(O)C(O)(O)N1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol?
The InChIKey is AURRCLKOKNHGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c18-14(19,15(20,21)22)17-10-6-13(7-11-17)3-1-2-12-4-8-16-9-5-12/h12-13,16,18-22H,1-11H2.
What are the key properties of 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol?
2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol has a molecular weight of 318.41 g/mol, XLogP of -0.86, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]ethane-1,1,1,2,2-pentol is sourced from PubChem (CID 139982732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).