(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine

C16H26N2 — CID 915263

IUPAC(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
SMILESC[C@H]1C[C@](c2ccccc2)(N(C)C)[C@@H](C)CN1C
InChIInChI=1S/C16H26N2/c1-13-12-18(5)14(2)11-16(13,17(3)4)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t13-,14-,16-/m0/s1
InChIKeyIUSBKFPERNESOI-DZKIICNBSA-N
MW246.40 g/mol
LogP2.80
Rot. Bonds2

About (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine

(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine (PubChem CID 915263) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
PubChem CID915263
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
SMILESC[C@H]1C[C@](c2ccccc2)(N(C)C)[C@@H](C)CN1C
InChIInChI=1S/C16H26N2/c1-13-12-18(5)14(2)11-16(13,17(3)4)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t13-,14-,16-/m0/s1
InChIKeyIUSBKFPERNESOI-DZKIICNBSA-N
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine?
The IUPAC name of (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine (CID 915263) is (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine.
What is the SMILES notation for (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine?
The canonical SMILES for (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine is C[C@H]1C[C@](c2ccccc2)(N(C)C)[C@@H](C)CN1C.
What is the InChIKey of (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine?
The InChIKey is IUSBKFPERNESOI-DZKIICNBSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-12-18(5)14(2)11-16(13,17(3)4)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/t13-,14-,16-/m0/s1.
What are the key properties of (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine?
(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine is sourced from PubChem (CID 915263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).