(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol

C9H18N2O — CID 129495551

IUPAC(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNN1CC[C@H](O)[C@H](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/t8-,9+/m1/s1
InChIKeyBUIHGYTZSXYZFV-BDAKNGLRSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds2

About (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol

(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 129495551) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID129495551
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol
SMILESNN1CC[C@H](O)[C@H](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/t8-,9+/m1/s1
InChIKeyBUIHGYTZSXYZFV-BDAKNGLRSA-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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Related Compounds

2-[2-(1-Aminopiperidin-4-yl)cyclopropyl]ethanol
CID 123743221
5-(1-Aminopiperidin-4-yl)pentan-1-ol
CID 141012560
1-(1-Aminopiperidin-4-yl)hexan-1-ol
CID 141012566
3-(Cyclopropylmethyl)piperidin-4-ol
CID 112704237
1-Amino-3-propylpiperidin-4-ol
CID 121202987
1-Amino-3-isobutylpiperidin-4-ol
CID 121203010
1-(3-Aminopropyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 121203018
1-(2-Azidoethyl)-3-(cyclopropylmethyl)piperidin-4-ol
CID 121203020
1-Amino-3-(cyclopropylmethyl)piperidin-4-ol
CID 121203033
(3R,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393767
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768
(3R,4R)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393769

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol (CID 129495551) is (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol is NN1CC[C@H](O)[C@H](CC2CC2)C1.
What is the InChIKey of (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is BUIHGYTZSXYZFV-BDAKNGLRSA-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/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol?
(3R,4S)-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 (3R,4S)-1-amino-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 129495551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).