(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine

C28H32N2 — CID 124764153

IUPAC(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
SMILESc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C28H32N2/c1-3-10-22(11-4-1)20-30-19-18-28(26(21-30)24-12-5-2-6-13-24)29-27-17-9-15-23-14-7-8-16-25(23)27/h1-8,10-14,16,26-29H,9,15,17-21H2/t26-,27-,28-/m0/s1
InChIKeySUPUOCXWGNFONI-KCHLEUMXSA-N
MW396.58 g/mol
LogP5.71
Rot. Bonds5

About (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine

(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine (PubChem CID 124764153) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
PubChem CID124764153
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC Name(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
SMILESc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C28H32N2/c1-3-10-22(11-4-1)20-30-19-18-28(26(21-30)24-12-5-2-6-13-24)29-27-17-9-15-23-14-7-8-16-25(23)27/h1-8,10-14,16,26-29H,9,15,17-21H2/t26-,27-,28-/m0/s1
InChIKeySUPUOCXWGNFONI-KCHLEUMXSA-N
XLogP5.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
N-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454712
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
(4aR,5R,9bS)-2-benzyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-ol
CID 844320
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
(4aR,10bS)-3-benzyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 15751777
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine?
The IUPAC name of (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine (CID 124764153) is (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine?
The canonical SMILES for (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine is c1ccc(CN2CC[C@H](N[C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine?
The InChIKey is SUPUOCXWGNFONI-KCHLEUMXSA-N. The full InChI is InChI=1S/C28H32N2/c1-3-10-22(11-4-1)20-30-19-18-28(26(21-30)24-12-5-2-6-13-24)29-27-17-9-15-23-14-7-8-16-25(23)27/h1-8,10-14,16,26-29H,9,15,17-21H2/t26-,27-,28-/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine?
(3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine has a molecular weight of 396.58 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine is sourced from PubChem (CID 124764153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).