N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine

C18H29FN2 — CID 114832283

IUPACN-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)Cc2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-14(2)20-12-16-7-6-10-21(13-16)15(3)11-17-8-4-5-9-18(17)19/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3
InChIKeyLPVXDDWRMVMDGE-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 114832283) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID114832283
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)Cc2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-14(2)20-12-16-7-6-10-21(13-16)15(3)11-17-8-4-5-9-18(17)19/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3
InChIKeyLPVXDDWRMVMDGE-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
N-[(1-heptan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 80558125
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine (CID 114832283) is N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(C(C)Cc2ccccc2F)C1.
What is the InChIKey of N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is LPVXDDWRMVMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14(2)20-12-16-7-6-10-21(13-16)15(3)11-17-8-4-5-9-18(17)19/h4-5,8-9,14-16,20H,6-7,10-13H2,1-3H3.
What are the key properties of N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114832283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).