1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine

C21H35N3 — CID 95144480

IUPAC1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1C
InChIInChI=1S/C21H35N3/c1-17-5-6-20(15-18(17)2)16-23-9-7-21(8-10-23)19(3)24-13-11-22(4)12-14-24/h5-6,15,19,21H,7-14,16H2,1-4H3/t19-/m1/s1
InChIKeyBKLPZSAKVBTDKG-LJQANCHMSA-N
MW329.53 g/mol
LogP3.15
Rot. Bonds4

About 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine

1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine (PubChem CID 95144480) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
PubChem CID95144480
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1C
InChIInChI=1S/C21H35N3/c1-17-5-6-20(15-18(17)2)16-23-9-7-21(8-10-23)19(3)24-13-11-22(4)12-14-24/h5-6,15,19,21H,7-14,16H2,1-4H3/t19-/m1/s1
InChIKeyBKLPZSAKVBTDKG-LJQANCHMSA-N
XLogP3.15
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-methyl-4-[1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70740799
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
1-methyl-4-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70779398
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341956
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70705816
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine (CID 95144480) is 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine is Cc1ccc(CN2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1C.
What is the InChIKey of 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
The InChIKey is BKLPZSAKVBTDKG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H35N3/c1-17-5-6-20(15-18(17)2)16-23-9-7-21(8-10-23)19(3)24-13-11-22(4)12-14-24/h5-6,15,19,21H,7-14,16H2,1-4H3/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine?
1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine has a molecular weight of 329.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 95144480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).