carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride

C9H21ClN2O3 — CID 70077869

IUPACcarbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.NC(=O)O.OCCCN1CCCCC1
InChIInChI=1S/C8H17NO.CH3NO2.ClH/c10-8-4-7-9-5-2-1-3-6-9;2-1(3)4;/h10H,1-8H2;2H2,(H,3,4);1H
InChIKeyXQYOUXGFHCYDFQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP0.90
Rot. Bonds3

About carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride

carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 70077869) has the molecular formula C9H21ClN2O3 and a molecular weight of 240.73 g/mol. Its IUPAC name is carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Namecarbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID70077869
Molecular FormulaC9H21ClN2O3
Molecular Weight240.73 g/mol
Exact Mass240.12
IUPAC Namecarbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.NC(=O)O.OCCCN1CCCCC1
InChIInChI=1S/C8H17NO.CH3NO2.ClH/c10-8-4-7-9-5-2-1-3-6-9;2-1(3)4;/h10H,1-8H2;2H2,(H,3,4);1H
InChIKeyXQYOUXGFHCYDFQ-UHFFFAOYSA-N
XLogP0.90
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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11-pyrrolidin-1-ylundecanamide
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CID 23210465
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
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1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
2-amino-5-piperidin-1-ylpentanamide
CID 89453537
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Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 70077869) is carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.NC(=O)O.OCCCN1CCCCC1.
What is the InChIKey of carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is XQYOUXGFHCYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH3NO2.ClH/c10-8-4-7-9-5-2-1-3-6-9;2-1(3)4;/h10H,1-8H2;2H2,(H,3,4);1H.
What are the key properties of carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride?
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 70077869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).