1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol

C14H30N2O2 — CID 63929279

IUPAC1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C14H30N2O2/c1-12(2)8-15-9-13-4-6-16(7-5-13)10-14(17)11-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyLVWJSSHRDXQUDL-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.95
Rot. Bonds8

About 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol

1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 63929279) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID63929279
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C14H30N2O2/c1-12(2)8-15-9-13-4-6-16(7-5-13)10-14(17)11-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyLVWJSSHRDXQUDL-UHFFFAOYSA-N
XLogP0.95
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol (CID 63929279) is 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol is COCC(O)CN1CCC(CNCC(C)C)CC1.
What is the InChIKey of 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is LVWJSSHRDXQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)8-15-9-13-4-6-16(7-5-13)10-14(17)11-18-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol?
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63929279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).