4-[3-(methylamino)propyl]piperidin-4-ol

C9H20N2O — CID 145279418

IUPAC4-[3-(methylamino)propyl]piperidin-4-ol
SMILESCNCCCC1(O)CCNCC1
InChIInChI=1S/C9H20N2O/c1-10-6-2-3-9(12)4-7-11-8-5-9/h10-12H,2-8H2,1H3
InChIKeyRSQVRMDLNLNBNC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds4

About 4-[3-(methylamino)propyl]piperidin-4-ol

4-[3-(methylamino)propyl]piperidin-4-ol (PubChem CID 145279418) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]piperidin-4-ol
PubChem CID145279418
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-[3-(methylamino)propyl]piperidin-4-ol
SMILESCNCCCC1(O)CCNCC1
InChIInChI=1S/C9H20N2O/c1-10-6-2-3-9(12)4-7-11-8-5-9/h10-12H,2-8H2,1H3
InChIKeyRSQVRMDLNLNBNC-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
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-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
4-pent-3-ynylpiperidin-4-ol
CID 104809323
4-(4,4,4-trifluorobutyl)azepan-4-ol
CID 103982859
4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
4-but-3-ynylpiperidin-4-ol
CID 63656510
4-[(3-methoxypropylamino)methyl]piperidin-4-ol
CID 95438424
tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
CID 174761865
1-[(4-hydroxypiperidin-4-yl)methyl]-3-methylurea
CID 130984635
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
N-methylbutan-1-amine;piperidine
CID 143978162
4-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 83816476
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145628

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]piperidin-4-ol?
The IUPAC name of 4-[3-(methylamino)propyl]piperidin-4-ol (CID 145279418) is 4-[3-(methylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(methylamino)propyl]piperidin-4-ol?
The canonical SMILES for 4-[3-(methylamino)propyl]piperidin-4-ol is CNCCCC1(O)CCNCC1.
What is the InChIKey of 4-[3-(methylamino)propyl]piperidin-4-ol?
The InChIKey is RSQVRMDLNLNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-6-2-3-9(12)4-7-11-8-5-9/h10-12H,2-8H2,1H3.
What are the key properties of 4-[3-(methylamino)propyl]piperidin-4-ol?
4-[3-(methylamino)propyl]piperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 145279418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).