1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine

C20H33N3 — CID 796148

IUPAC1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
SMILESCC[C@@H](C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3/c1-3-18(2)22-13-15-23(16-14-22)20-9-11-21(12-10-20)17-19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m1/s1
InChIKeySGHRSORVZFULQK-GOSISDBHSA-N
MW315.50 g/mol
LogP3.07
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine

1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine (PubChem CID 796148) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
PubChem CID796148
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
SMILESCC[C@@H](C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3/c1-3-18(2)22-13-15-23(16-14-22)20-9-11-21(12-10-20)17-19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m1/s1
InChIKeySGHRSORVZFULQK-GOSISDBHSA-N
XLogP3.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-(1-benzylpiperidin-4-yl)-4-(2-iodopropan-2-yl)piperazine
CID 163881798
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
CID 174615690
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine (CID 796148) is 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine is CC[C@@H](C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine?
The InChIKey is SGHRSORVZFULQK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N3/c1-3-18(2)22-13-15-23(16-14-22)20-9-11-21(12-10-20)17-19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine?
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine has a molecular weight of 315.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine is sourced from PubChem (CID 796148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).