1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

C31H30N2O — CID 72547693

IUPAC1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(CN3CCN(C4c5ccccc5-c5ccccc54)CC3)cc2)cc1
InChIInChI=1S/C31H30N2O/c1-2-8-25(9-3-1)23-34-26-16-14-24(15-17-26)22-32-18-20-33(21-19-32)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,31H,18-23H2
InChIKeyNUXUMFPUGHPWDZ-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.15
Rot. Bonds6

About 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 72547693) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID72547693
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(CN3CCN(C4c5ccccc5-c5ccccc54)CC3)cc2)cc1
InChIInChI=1S/C31H30N2O/c1-2-8-25(9-3-1)23-34-26-16-14-24(15-17-26)22-32-18-20-33(21-19-32)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,31H,18-23H2
InChIKeyNUXUMFPUGHPWDZ-UHFFFAOYSA-N
XLogP6.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine
CID 19933871
(2S)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-[4-[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 94249691
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
2-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 90717393
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
(4-benzylpiperazin-1-yl)-[4-[(4-chlorophenyl)methoxy]phenyl]methanethione
CID 4207157
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (CID 72547693) is 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is c1ccc(COc2ccc(CN3CCN(C4c5ccccc5-c5ccccc54)CC3)cc2)cc1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is NUXUMFPUGHPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-2-8-25(9-3-1)23-34-26-16-14-24(15-17-26)22-32-18-20-33(21-19-32)31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31/h1-17,31H,18-23H2.
What are the key properties of 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 446.59 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 72547693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).