(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine

C16H26N2 — CID 97321645

IUPAC(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCCN1CC[C@@H](NCCc2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H26N2/c1-3-18-12-10-16(14(2)13-18)17-11-9-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyBNVNLKYMMXQHAV-GDBMZVCRSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds5

About (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine

(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 97321645) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
PubChem CID97321645
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCCN1CC[C@@H](NCCc2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H26N2/c1-3-18-12-10-16(14(2)13-18)17-11-9-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyBNVNLKYMMXQHAV-GDBMZVCRSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(furan-2-ylmethyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975277
2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 101112827
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
CID 114498565

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine (CID 97321645) is (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine is CCN1CC[C@@H](NCCc2ccccc2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is BNVNLKYMMXQHAV-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18-12-10-16(14(2)13-18)17-11-9-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine?
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 97321645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).