[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol

C17H28N2O — CID 61056770

IUPAC[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
SMILESCC(C)CNC1(CO)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)12-18-17(14-20)8-10-19(11-9-17)13-16-6-4-3-5-7-16/h3-7,15,18,20H,8-14H2,1-2H3
InChIKeyYLYTYDNYJCTITR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.26
Rot. Bonds6

About [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol

[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol (PubChem CID 61056770) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
PubChem CID61056770
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
SMILESCC(C)CNC1(CO)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)12-18-17(14-20)8-10-19(11-9-17)13-16-6-4-3-5-7-16/h3-7,15,18,20H,8-14H2,1-2H3
InChIKeyYLYTYDNYJCTITR-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
CID 44604890
N-[1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]-methylboronamidic acid;ethane
CID 91360741
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol (CID 61056770) is [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol is CC(C)CNC1(CO)CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol?
The InChIKey is YLYTYDNYJCTITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)12-18-17(14-20)8-10-19(11-9-17)13-16-6-4-3-5-7-16/h3-7,15,18,20H,8-14H2,1-2H3.
What are the key properties of [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol?
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61056770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).