1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

C19H29FN2O2 — CID 75497330

IUPAC1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(NC2CCCc3cc(F)ccc32)CC1
InChIInChI=1S/C19H29FN2O2/c1-24-13-17(23)12-22-9-7-16(8-10-22)21-19-4-2-3-14-11-15(20)5-6-18(14)19/h5-6,11,16-17,19,21,23H,2-4,7-10,12-13H2,1H3
InChIKeyVGHURTZNDHGGOW-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 75497330) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID75497330
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(NC2CCCc3cc(F)ccc32)CC1
InChIInChI=1S/C19H29FN2O2/c1-24-13-17(23)12-22-9-7-16(8-10-22)21-19-4-2-3-14-11-15(20)5-6-18(14)19/h5-6,11,16-17,19,21,23H,2-4,7-10,12-13H2,1H3
InChIKeyVGHURTZNDHGGOW-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (CID 75497330) is 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(NC2CCCc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is VGHURTZNDHGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-24-13-17(23)12-22-9-7-16(8-10-22)21-19-4-2-3-14-11-15(20)5-6-18(14)19/h5-6,11,16-17,19,21,23H,2-4,7-10,12-13H2,1H3.
What are the key properties of 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 336.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 75497330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).