2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol

C17H29N3O — CID 68776969

IUPAC2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
SMILESCC(CCN)N1CCC(NC(CO)c2ccccc2)CC1
InChIInChI=1S/C17H29N3O/c1-14(7-10-18)20-11-8-16(9-12-20)19-17(13-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,21H,7-13,18H2,1H3
InChIKeyULZKOZUUMSKLIG-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.51
Rot. Bonds7

About 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol

2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol (PubChem CID 68776969) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
PubChem CID68776969
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol
SMILESCC(CCN)N1CCC(NC(CO)c2ccccc2)CC1
InChIInChI=1S/C17H29N3O/c1-14(7-10-18)20-11-8-16(9-12-20)19-17(13-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,21H,7-13,18H2,1H3
InChIKeyULZKOZUUMSKLIG-UHFFFAOYSA-N
XLogP1.51
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

2-[2-[[1-[(2R)-4-aminobutan-2-yl]piperidin-4-yl]amino]-2-phenylethyl]isoindole-1,3-dione
CID 91086078
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol (CID 68776969) is 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol is CC(CCN)N1CCC(NC(CO)c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol?
The InChIKey is ULZKOZUUMSKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(7-10-18)20-11-8-16(9-12-20)19-17(13-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,21H,7-13,18H2,1H3.
What are the key properties of 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol?
2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol has a molecular weight of 291.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-aminobutan-2-yl)piperidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 68776969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).