1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine

C22H33N3 — CID 11877899

IUPAC1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1
InChIInChI=1S/C22H33N3/c1-2-4-20(5-3-1)23-12-14-24(15-13-23)21-8-10-25(11-9-21)22-17-18-6-7-19(22)16-18/h1-5,18-19,21-22H,6-17H2/t18-,19+,22+/m0/s1
InChIKeyNTMVEFPSIQONBD-NNMXDRDESA-N
MW339.53 g/mol
LogP3.46
Rot. Bonds3

About 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine

1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine (PubChem CID 11877899) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
PubChem CID11877899
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1
InChIInChI=1S/C22H33N3/c1-2-4-20(5-3-1)23-12-14-24(15-13-23)21-8-10-25(11-9-21)22-17-18-6-7-19(22)16-18/h1-5,18-19,21-22H,6-17H2/t18-,19+,22+/m0/s1
InChIKeyNTMVEFPSIQONBD-NNMXDRDESA-N
XLogP3.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
1-(1-benzylpiperidin-4-yl)-4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 11896886
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-cycloheptyl-4-phenylpiperazine
CID 2846720
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
CID 124841342
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
CID 11630701
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
CID 58772232
5-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]phenyl]-2-(2-methylquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine
CID 143719119
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
CID 22558083

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine (CID 11877899) is 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine is c1ccc(N2CCN(C3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1.
What is the InChIKey of 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine?
The InChIKey is NTMVEFPSIQONBD-NNMXDRDESA-N. The full InChI is InChI=1S/C22H33N3/c1-2-4-20(5-3-1)23-12-14-24(15-13-23)21-8-10-25(11-9-21)22-17-18-6-7-19(22)16-18/h1-5,18-19,21-22H,6-17H2/t18-,19+,22+/m0/s1.
What are the key properties of 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine?
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine has a molecular weight of 339.53 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-phenylpiperazine is sourced from PubChem (CID 11877899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).