4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol

C11H24N2O2 — CID 106156720

IUPAC4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
SMILESCOCC(CCO)NCC1CCCCN1
InChIInChI=1S/C11H24N2O2/c1-15-9-11(5-7-14)13-8-10-4-2-3-6-12-10/h10-14H,2-9H2,1H3
InChIKeyJWIPGXAJJXINII-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.12
Rot. Bonds7

About 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol

4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol (PubChem CID 106156720) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
PubChem CID106156720
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
SMILESCOCC(CCO)NCC1CCCCN1
InChIInChI=1S/C11H24N2O2/c1-15-9-11(5-7-14)13-8-10-4-2-3-6-12-10/h10-14H,2-9H2,1H3
InChIKeyJWIPGXAJJXINII-UHFFFAOYSA-N
XLogP0.12
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
CID 106349015
1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106638615
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
CID 106157163
N-(2-methoxyethyl)-2-(piperidin-2-ylmethylamino)propanamide
CID 106634334
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 106638277
(R)-(2-methoxycyclohexyl)-(piperidin-2-ylmethylamino)methanol
CID 163557222
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-4-methoxybutan-1-ol
CID 106159619
1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
CID 79560235
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol (CID 106156720) is 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol is COCC(CCO)NCC1CCCCN1.
What is the InChIKey of 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol?
The InChIKey is JWIPGXAJJXINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-15-9-11(5-7-14)13-8-10-4-2-3-6-12-10/h10-14H,2-9H2,1H3.
What are the key properties of 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol?
4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 106156720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).