(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol

C10H23N3O — CID 142979974

IUPAC(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol
SMILESNCCCCN1CC[C@@H](CN)[C@H](O)C1
InChIInChI=1S/C10H23N3O/c11-4-1-2-5-13-6-3-9(7-12)10(14)8-13/h9-10,14H,1-8,11-12H2/t9-,10+/m0/s1
InChIKeyNOFLWZBEBYXRGU-VHSXEESVSA-N
MW201.31 g/mol
LogP-0.63
Rot. Bonds5

About (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol

(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol (PubChem CID 142979974) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol
PubChem CID142979974
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol
SMILESNCCCCN1CC[C@@H](CN)[C@H](O)C1
InChIInChI=1S/C10H23N3O/c11-4-1-2-5-13-6-3-9(7-12)10(14)8-13/h9-10,14H,1-8,11-12H2/t9-,10+/m0/s1
InChIKeyNOFLWZBEBYXRGU-VHSXEESVSA-N
XLogP-0.63
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol (CID 142979974) is (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol is NCCCCN1CC[C@@H](CN)[C@H](O)C1.
What is the InChIKey of (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol?
The InChIKey is NOFLWZBEBYXRGU-VHSXEESVSA-N. The full InChI is InChI=1S/C10H23N3O/c11-4-1-2-5-13-6-3-9(7-12)10(14)8-13/h9-10,14H,1-8,11-12H2/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol?
(3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-aminobutyl)-4-(aminomethyl)piperidin-3-ol is sourced from PubChem (CID 142979974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).