(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol

C18H38N2O — CID 10402448

IUPAC(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
SMILESCCCCCCCCCCCCC[C@H]1C[C@H](O)[C@@H](N)CN1
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h16-18,20-21H,2-15,19H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKXMHPOJZTZMJIV-BZSNNMDCSA-N
MW298.51 g/mol
LogP3.74
Rot. Bonds12

About (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol

(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol (PubChem CID 10402448) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
PubChem CID10402448
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
SMILESCCCCCCCCCCCCC[C@H]1C[C@H](O)[C@@H](N)CN1
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h16-18,20-21H,2-15,19H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKXMHPOJZTZMJIV-BZSNNMDCSA-N
XLogP3.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 122657014
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
2-pentylaziridine
CID 19101061
2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperazine
CID 153393891
4-ethyl-6-heptyl-1,3-diazinane
CID 146643055
2-hexyl-5-methylpiperidine
CID 106778394
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol?
The IUPAC name of (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol (CID 10402448) is (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol.
What is the SMILES notation for (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol?
The canonical SMILES for (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol is CCCCCCCCCCCCC[C@H]1C[C@H](O)[C@@H](N)CN1.
What is the InChIKey of (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol?
The InChIKey is KXMHPOJZTZMJIV-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h16-18,20-21H,2-15,19H2,1H3/t16-,17-,18-/m0/s1.
What are the key properties of (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol?
(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol has a molecular weight of 298.51 g/mol, XLogP of 3.74, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol is sourced from PubChem (CID 10402448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).