[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol

C9H20N2O — CID 40648463

IUPAC[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol
SMILESNCCCN1CCC[C@H](CO)C1
InChIInChI=1S/C9H20N2O/c10-4-2-6-11-5-1-3-9(7-11)8-12/h9,12H,1-8,10H2/t9-/m0/s1
InChIKeyLEGYMQGRRTXEDZ-VIFPVBQESA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds4

About [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol

[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol (PubChem CID 40648463) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol
PubChem CID40648463
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol
SMILESNCCCN1CCC[C@H](CO)C1
InChIInChI=1S/C9H20N2O/c10-4-2-6-11-5-1-3-9(7-11)8-12/h9,12H,1-8,10H2/t9-/m0/s1
InChIKeyLEGYMQGRRTXEDZ-VIFPVBQESA-N
XLogP0.04
TPSA49.49 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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol (CID 40648463) is [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol is NCCCN1CCC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol?
The InChIKey is LEGYMQGRRTXEDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c10-4-2-6-11-5-1-3-9(7-11)8-12/h9,12H,1-8,10H2/t9-/m0/s1.
What are the key properties of [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol?
[(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-aminopropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 40648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).