1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol

C13H28N2O2 — CID 110904891

IUPAC1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOCC(C)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O2/c1-11-4-6-15(7-5-11)9-13(16)8-14-12(2)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyHTPNAKABNQRDER-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.70
Rot. Bonds7

About 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110904891) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110904891
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOCC(C)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O2/c1-11-4-6-15(7-5-11)9-13(16)8-14-12(2)10-17-3/h11-14,16H,4-10H2,1-3H3
InChIKeyHTPNAKABNQRDER-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 64604856
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905094
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110904891) is 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol is COCC(C)NCC(O)CN1CCC(C)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is HTPNAKABNQRDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11-4-6-15(7-5-11)9-13(16)8-14-12(2)10-17-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110904891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).