(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine

C19H30N6 — CID 99829515

IUPAC(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)n1nnnc1CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C19H30N6/c1-14(2)25-18(21-22-23-25)10-20-19-15(3)11-24(12-16(19)4)13-17-8-6-5-7-9-17/h5-9,14-16,19-20H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyLOMOJHHAWGZQQJ-HZPDHXFCSA-N
MW342.49 g/mol
LogP2.50
Rot. Bonds6

About (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine

(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine (PubChem CID 99829515) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine
PubChem CID99829515
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)n1nnnc1CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C19H30N6/c1-14(2)25-18(21-22-23-25)10-20-19-15(3)11-24(12-16(19)4)13-17-8-6-5-7-9-17/h5-9,14-16,19-20H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyLOMOJHHAWGZQQJ-HZPDHXFCSA-N
XLogP2.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
CID 91651434
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
5-[[2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-1-propan-2-yltetrazole
CID 75451554

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine (CID 99829515) is (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine is CC(C)n1nnnc1CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is LOMOJHHAWGZQQJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(2)25-18(21-22-23-25)10-20-19-15(3)11-24(12-16(19)4)13-17-8-6-5-7-9-17/h5-9,14-16,19-20H,10-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine?
(3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-3,5-dimethyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 99829515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).