[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol

C20H26N2O — CID 22359957

IUPAC[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
SMILESOCC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c23-17-20(21-15-18-7-3-1-4-8-18)11-13-22(14-12-20)16-19-9-5-2-6-10-19/h1-10,21,23H,11-17H2
InChIKeyWZODSNISIUITME-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.80
Rot. Bonds6

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

[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol (PubChem CID 22359957) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
PubChem CID22359957
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
SMILESOCC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c23-17-20(21-15-18-7-3-1-4-8-18)11-13-22(14-12-20)16-19-9-5-2-6-10-19/h1-10,21,23H,11-17H2
InChIKeyWZODSNISIUITME-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
CID 44604890
[4-(benzylamino)-1-propan-2-ylazepan-4-yl]methanol
CID 65077679
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
N-[1-benzyl-3-(hydroxymethyl)pyrrolidin-3-yl]-methylboronamidic acid;ethane
CID 91360741
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol?
The IUPAC name of [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol (CID 22359957) is [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol?
The canonical SMILES for [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol is OCC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol?
The InChIKey is WZODSNISIUITME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-17-20(21-15-18-7-3-1-4-8-18)11-13-22(14-12-20)16-19-9-5-2-6-10-19/h1-10,21,23H,11-17H2.
What are the key properties of [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol?
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol has a molecular weight of 310.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(benzylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 22359957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).