1-amino-3-(cyclopropylmethyl)piperidin-4-ol

C9H18N2O — CID 121203033

IUPAC1-amino-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C9H18N2O/c10-11-4-3-9(12)8(6-11)5-7-1-2-7/h7-9,12H,1-6,10H2
InChIKeyBUIHGYTZSXYZFV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds2

About 1-amino-3-(cyclopropylmethyl)piperidin-4-ol

1-amino-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 121203033) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-amino-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID121203033
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-amino-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNN1CCC(O)C(CC2CC2)C1
InChIInChI=1S/C9H18N2O/c10-11-4-3-9(12)8(6-11)5-7-1-2-7/h7-9,12H,1-6,10H2
InChIKeyBUIHGYTZSXYZFV-UHFFFAOYSA-N
XLogP0.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of 1-amino-3-(cyclopropylmethyl)piperidin-4-ol (CID 121203033) is 1-amino-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for 1-amino-3-(cyclopropylmethyl)piperidin-4-ol is NN1CCC(O)C(CC2CC2)C1.
What is the InChIKey of 1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is BUIHGYTZSXYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-11-4-3-9(12)8(6-11)5-7-1-2-7/h7-9,12H,1-6,10H2.
What are the key properties of 1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
1-amino-3-(cyclopropylmethyl)piperidin-4-ol has a molecular weight of 170.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 121203033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).