4-[(pentylamino)methyl]piperidin-4-ol

C11H24N2O — CID 95438274

IUPAC4-[(pentylamino)methyl]piperidin-4-ol
SMILESCCCCCNCC1(O)CCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-7-13-10-11(14)5-8-12-9-6-11/h12-14H,2-10H2,1H3
InChIKeyWMJUQBXPUGGZKU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.88
Rot. Bonds6

About 4-[(pentylamino)methyl]piperidin-4-ol

4-[(pentylamino)methyl]piperidin-4-ol (PubChem CID 95438274) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(pentylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(pentylamino)methyl]piperidin-4-ol
PubChem CID95438274
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(pentylamino)methyl]piperidin-4-ol
SMILESCCCCCNCC1(O)CCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-7-13-10-11(14)5-8-12-9-6-11/h12-14H,2-10H2,1H3
InChIKeyWMJUQBXPUGGZKU-UHFFFAOYSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.88
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

1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
4-[(3-methoxypropylamino)methyl]piperidin-4-ol
CID 95438424
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
4-(pentylsulfanylmethyl)piperidin-4-ol
CID 107754691
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
4-[3-(methylamino)propyl]piperidin-4-ol
CID 145279418
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781

Frequently Asked Questions

What is the IUPAC name of 4-[(pentylamino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(pentylamino)methyl]piperidin-4-ol (CID 95438274) is 4-[(pentylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(pentylamino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(pentylamino)methyl]piperidin-4-ol is CCCCCNCC1(O)CCNCC1.
What is the InChIKey of 4-[(pentylamino)methyl]piperidin-4-ol?
The InChIKey is WMJUQBXPUGGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-4-7-13-10-11(14)5-8-12-9-6-11/h12-14H,2-10H2,1H3.
What are the key properties of 4-[(pentylamino)methyl]piperidin-4-ol?
4-[(pentylamino)methyl]piperidin-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 95438274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).