4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol

C11H24N2O — CID 106635214

IUPAC4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
SMILESCN(CCCCO)CC1CCCCN1
InChIInChI=1S/C11H24N2O/c1-13(8-4-5-9-14)10-11-6-2-3-7-12-11/h11-12,14H,2-10H2,1H3
InChIKeyHGHBKSANXUMBFP-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol

4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol (PubChem CID 106635214) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
PubChem CID106635214
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
SMILESCN(CCCCO)CC1CCCCN1
InChIInChI=1S/C11H24N2O/c1-13(8-4-5-9-14)10-11-6-2-3-7-12-11/h11-12,14H,2-10H2,1H3
InChIKeyHGHBKSANXUMBFP-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)hept-6-en-1-amine
CID 107008102
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-methyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 63207373
4,4,4-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106613835
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
1-cyclopentyl-N-methyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 63631590

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol (CID 106635214) is 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol is CN(CCCCO)CC1CCCCN1.
What is the InChIKey of 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol?
The InChIKey is HGHBKSANXUMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(8-4-5-9-14)10-11-6-2-3-7-12-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol?
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 106635214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).