4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride

C22H28ClNO — CID 11152526

IUPAC4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H27NO.ClH/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20;/h1-9,19-20H,10-17H2;1H
InChIKeyQWWHBOZGYDQGDS-UHFFFAOYSA-N
MW357.92 g/mol
LogP4.61
Rot. Bonds4

About 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride

4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride (PubChem CID 11152526) has the molecular formula C22H28ClNO and a molecular weight of 357.92 g/mol. Its IUPAC name is 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
PubChem CID11152526
Molecular FormulaC22H28ClNO
Molecular Weight357.92 g/mol
Exact Mass357.19
IUPAC Name4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H27NO.ClH/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20;/h1-9,19-20H,10-17H2;1H
InChIKeyQWWHBOZGYDQGDS-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;oxalic acid
CID 11189142
4-[[1-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-yl]methyl]morpholine
CID 97284836
3-(3,4-dihydro-2H-chromen-3-ylmethyl)pyridine
CID 72893239
1-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-amine
CID 97269079
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
CID 11451970
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 11440556

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride (CID 11152526) is 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride is Cl.c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is QWWHBOZGYDQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.ClH/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20;/h1-9,19-20H,10-17H2;1H.
What are the key properties of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride?
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 357.92 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 11152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).