ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine

C16H33FN2 — CID 165138084

IUPACethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
SMILESCC.CCCC1(F)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H27FN2.C2H6/c1-2-5-14(15)6-10-17(11-7-14)12-13-3-8-16-9-4-13;1-2/h13,16H,2-12H2,1H3;1-2H3
InChIKeyXHYBLBRBWYBXPW-UHFFFAOYSA-N
MW272.45 g/mol
LogP3.62
Rot. Bonds4

About ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine

ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine (PubChem CID 165138084) has the molecular formula C16H33FN2 and a molecular weight of 272.45 g/mol. Its IUPAC name is ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine.

Molecular Properties

Compound Nameethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
PubChem CID165138084
Molecular FormulaC16H33FN2
Molecular Weight272.45 g/mol
Exact Mass272.26
IUPAC Nameethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
SMILESCC.CCCC1(F)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H27FN2.C2H6/c1-2-5-14(15)6-10-17(11-7-14)12-13-3-8-16-9-4-13;1-2/h13,16H,2-12H2,1H3;1-2H3
InChIKeyXHYBLBRBWYBXPW-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 120849524
N-[2-[1-(piperidin-4-ylmethyl)-4-propylpiperidin-4-yl]ethyl]-2,3-dihydropyridin-2-amine
CID 171070163
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
1-ethylimino-4-(piperidin-4-ylmethyl)-1,4-thiazinane 1-oxide
CID 165137094
2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine
CID 174925589

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine?
The IUPAC name of ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine (CID 165138084) is ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine.
What is the SMILES notation for ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine?
The canonical SMILES for ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine is CC.CCCC1(F)CCN(CC2CCNCC2)CC1.
What is the InChIKey of ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine?
The InChIKey is XHYBLBRBWYBXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2.C2H6/c1-2-5-14(15)6-10-17(11-7-14)12-13-3-8-16-9-4-13;1-2/h13,16H,2-12H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine?
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine has a molecular weight of 272.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine is sourced from PubChem (CID 165138084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).