(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine

C19H29BrN2 — CID 7026651

IUPAC(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1
InChIInChI=1S/C19H29BrN2/c1-15-11-16(2)13-22(12-15)18-7-9-21(10-8-18)14-17-5-3-4-6-19(17)20/h3-6,15-16,18H,7-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJUMJMQVCTRHKTK-HOTGVXAUSA-N
MW365.36 g/mol
LogP4.39
Rot. Bonds3

About (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine

(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine (PubChem CID 7026651) has the molecular formula C19H29BrN2 and a molecular weight of 365.36 g/mol. Its IUPAC name is (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine
PubChem CID7026651
Molecular FormulaC19H29BrN2
Molecular Weight365.36 g/mol
Exact Mass364.15
IUPAC Name(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1
InChIInChI=1S/C19H29BrN2/c1-15-11-16(2)13-22(12-15)18-7-9-21(10-8-18)14-17-5-3-4-6-19(17)20/h3-6,15-16,18H,7-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJUMJMQVCTRHKTK-HOTGVXAUSA-N
XLogP4.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530
1-[(2-bromophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 2880126
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine (CID 7026651) is (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine is C[C@H]1C[C@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1.
What is the InChIKey of (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine?
The InChIKey is JUMJMQVCTRHKTK-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H29BrN2/c1-15-11-16(2)13-22(12-15)18-7-9-21(10-8-18)14-17-5-3-4-6-19(17)20/h3-6,15-16,18H,7-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine?
(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine has a molecular weight of 365.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine is sourced from PubChem (CID 7026651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).