N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

C21H34FN3 — CID 99792281

IUPACN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC(C)N1CCN(CCCN(Cc2ccc(F)cc2)CC2CC2)CC1
InChIInChI=1S/C21H34FN3/c1-18(2)25-14-12-23(13-15-25)10-3-11-24(16-19-4-5-19)17-20-6-8-21(22)9-7-20/h6-9,18-19H,3-5,10-17H2,1-2H3
InChIKeyCUIMTDNHKZWYQL-UHFFFAOYSA-N
MW347.52 g/mol
LogP3.45
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 99792281) has the molecular formula C21H34FN3 and a molecular weight of 347.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID99792281
Molecular FormulaC21H34FN3
Molecular Weight347.52 g/mol
Exact Mass347.27
IUPAC NameN-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCC(C)N1CCN(CCCN(Cc2ccc(F)cc2)CC2CC2)CC1
InChIInChI=1S/C21H34FN3/c1-18(2)25-14-12-23(13-15-25)10-3-11-24(16-19-4-5-19)17-20-6-8-21(22)9-7-20/h6-9,18-19H,3-5,10-17H2,1-2H3
InChIKeyCUIMTDNHKZWYQL-UHFFFAOYSA-N
XLogP3.45
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (CID 99792281) is N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is CC(C)N1CCN(CCCN(Cc2ccc(F)cc2)CC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is CUIMTDNHKZWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN3/c1-18(2)25-14-12-23(13-15-25)10-3-11-24(16-19-4-5-19)17-20-6-8-21(22)9-7-20/h6-9,18-19H,3-5,10-17H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 347.52 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 99792281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).