1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol

C23H39N3O3 — CID 172668662

IUPAC1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(CC(O)COc2ccc(CN3CCC(N)CC3)cc2)CC1
InChIInChI=1S/C23H39N3O3/c1-23(2,28)19-7-11-26(12-8-19)16-21(27)17-29-22-5-3-18(4-6-22)15-25-13-9-20(24)10-14-25/h3-6,19-21,27-28H,7-17,24H2,1-2H3
InChIKeyUTPXUPQJZHPFCW-UHFFFAOYSA-N
MW405.58 g/mol
LogP1.83
Rot. Bonds8

About 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol

1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol (PubChem CID 172668662) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol
PubChem CID172668662
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(CC(O)COc2ccc(CN3CCC(N)CC3)cc2)CC1
InChIInChI=1S/C23H39N3O3/c1-23(2,28)19-7-11-26(12-8-19)16-21(27)17-29-22-5-3-18(4-6-22)15-25-13-9-20(24)10-14-25/h3-6,19-21,27-28H,7-17,24H2,1-2H3
InChIKeyUTPXUPQJZHPFCW-UHFFFAOYSA-N
XLogP1.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol
CID 175644822
(2R)-1-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97284083
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
2-[1-[3-[4-[[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 172671171
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 53464119
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[4-[(4-aminopiperidin-1-yl)methyl]-2-methoxyphenoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol;dihydrochloride
CID 172909838

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol (CID 172668662) is 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol is CC(C)(O)C1CCN(CC(O)COc2ccc(CN3CCC(N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is UTPXUPQJZHPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-23(2,28)19-7-11-26(12-8-19)16-21(27)17-29-22-5-3-18(4-6-22)15-25-13-9-20(24)10-14-25/h3-6,19-21,27-28H,7-17,24H2,1-2H3.
What are the key properties of 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol?
1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 405.58 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminopiperidin-1-yl)methyl]phenoxy]-3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 172668662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).